SCHEMBL24359376

SCHEMBL24359376

CC(C)C(=O)SCCCCCCC(=O)Nc1nc(-c2ccccn2)cs1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.66
▸ MAPT P10636 6/20 0.66
▸ KDM4E B2RXH2 3/20 0.66
▸ POLB P06746 2/20 0.66
▸ TDP1 Q9NUW8 2/20 0.66
▸ GAA P10253 1/20 0.66
▸ LMNA P02545 2/20 0.66
▸ HPGD P15428 2/20 0.66
▸ MEN1 O00255 1/20 0.66
▸ KMT2A Q03164 1/20 0.66
▸ L3MBTL1 Q9Y468 3/20 0.60
▸ PKM P14618 1/20 0.60
▸ PPP1CA P62136 1/20 0.60
▸ SMN1; SMN2 Q16637 2/20 0.52
▸ SLC2A1 P11166 1/20 0.52
▸ ADORA3 P0DMS8 2/20 0.51
▸ KDM4A O75164 1/20 0.51
▸ KDM4B O94953 1/20 0.51
▸ KDM5B Q9UGL1 1/20 0.51
▸ CCR6 P51684 2/20 0.51

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29516051 1.00 ALDH1A1 (0.66) ALDH1A1MAPTKDM4EPOLBTDP1
SCHEMBL24359496 0.87 HDAC1 (0.67) MAPTGAAMEN1KMT2AHDAC3
SCHEMBL7996639 0.87 HDAC1 (0.67) MAPTGAAMEN1KMT2AHDAC3
SCHEMBL24359498 0.87 HDAC1 (0.67) MAPTGAAMEN1KMT2AHDAC3
SCHEMBL24359367 0.86 HDAC1 (0.65) MAPTGAALMNAMEN1KMT2A
SCHEMBL29516403 0.83 ALDH1A1 (0.67) ALDH1A1MAPTKDM4EPOLBTDP1
SCHEMBL24359497 0.83 HDAC1 (0.65) MAPTGAALMNAMEN1KMT2A
SCHEMBL29516047 0.81 ALDH1A1 (0.61) ALDH1A1MAPTKDM4EPOLBTDP1
SCHEMBL24359720 0.81 ALDH1A1 (0.61) ALDH1A1MAPTKDM4EPOLBTDP1
SCHEMBL24359676 0.77 LMNA (0.51) ALDH1A1MAPTLMNAHPGDMEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022087456-A1 NEW COMPOUNDS FOR THE TREATMENT OF ALZHEIMER'S DISEASE ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2022-04-28 — — WO disclosed
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